N-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide

C20H16ClN3OS — CID 1048122

IUPACN-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
SMILESO=C(NC(=S)Nc1ccc(Cl)cn1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16ClN3OS/c21-16-11-12-17(22-13-16)23-20(26)24-19(25)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,18H,(H2,22,23,24,25,26)
InChIKeyYDNYDYRDTYKGJX-UHFFFAOYSA-N
MW381.89 g/mol
LogP4.38
Rot. Bonds4

About N-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide

N-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide (PubChem CID 1048122) has the molecular formula C20H16ClN3OS and a molecular weight of 381.89 g/mol. Its IUPAC name is N-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
PubChem CID1048122
Molecular FormulaC20H16ClN3OS
Molecular Weight381.89 g/mol
Exact Mass381.07
IUPAC NameN-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
SMILESO=C(NC(=S)Nc1ccc(Cl)cn1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16ClN3OS/c21-16-11-12-17(22-13-16)23-20(26)24-19(25)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,18H,(H2,22,23,24,25,26)
InChIKeyYDNYDYRDTYKGJX-UHFFFAOYSA-N
XLogP4.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide
CID 920575
2-chloro-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide
CID 881777
2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide
CID 43245528
N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
CID 6457327
2-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide
CID 1335961
1-benzhydryl-3-(5-chloro-2-pyridinyl)urea
CID 108867612
N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
CID 17115032
2-chloro-5-[(2,2-diphenylacetyl)carbamothioylamino]benzoic acid
CID 1329168
N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712703
(3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide
CID 7277749
N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 4630986
2-methyl-N-[(1S)-2,2,2-trichloro-1-[(5-chloro-2-pyridinyl)carbamothioylamino]ethyl]propanamide
CID 40510260

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide?
The IUPAC name of N-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide (CID 1048122) is N-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide is O=C(NC(=S)Nc1ccc(Cl)cn1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide?
The InChIKey is YDNYDYRDTYKGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3OS/c21-16-11-12-17(22-13-16)23-20(26)24-19(25)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,18H,(H2,22,23,24,25,26).
What are the key properties of N-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide?
N-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide has a molecular weight of 381.89 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide is sourced from PubChem (CID 1048122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).